N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: N-[3-keto-3-(4-piperonylpiperazino)propyl]benzenesulfonamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCNS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCNS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O5S/c25-21(8-9-22-30(26,27)18-4-2-1-3-5-18)24-12-10-23(11-13-24)15-17-6-7-19-20(14-17)29-16-28-19/h1-7,14,22H,8-13,15-16H2